| SpectraBase Compound ID | Kj4VFOLYTTa |
|---|---|
| InChI | InChI=1S/C17H26O2/c1-3-4-5-6-7-8-9-13-19-17(18)16-12-10-11-15(2)14-16/h10-12,14H,3-9,13H2,1-2H3 |
| InChIKey | VATKQGRAGRBPSW-UHFFFAOYSA-N |
| Mol Weight | 262.39 g/mol |
| Molecular Formula | C17H26O2 |
| Exact Mass | 262.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ef979oPSsuz |
|---|---|
| Name | m-Toluic acid, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.193280075 u |
| Formula | C17H26O2 |
| InChI | InChI=1S/C17H26O2/c1-3-4-5-6-7-8-9-13-19-17(18)16-12-10-11-15(2)14-16/h10-12,14H,3-9,13H2,1-2H3 |
| InChIKey | VATKQGRAGRBPSW-UHFFFAOYSA-N |
| Molecular Weight | 262.393 g/mol |
| SMILES | C(OCCCCCCCCC)(=O)C1=CC(C)=CC=C1 |